(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone

C15H10BrCl3O2 — CID 107950013

IUPAC(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Cl
InChIInChI=1S/C15H10BrCl3O2/c1-2-21-14-7-12(18)11(6-13(14)19)15(20)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyXWHMOBGWZKDXEE-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.04
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone

(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone (PubChem CID 107950013) has the molecular formula C15H10BrCl3O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone
PubChem CID107950013
Molecular FormulaC15H10BrCl3O2
Molecular Weight408.51 g/mol
Exact Mass405.89
IUPAC Name(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Cl
InChIInChI=1S/C15H10BrCl3O2/c1-2-21-14-7-12(18)11(6-13(14)19)15(20)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyXWHMOBGWZKDXEE-UHFFFAOYSA-N
XLogP6.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
4-chloro-1-(2,5-dichloro-4-ethoxyphenyl)butan-1-one
CID 105400923
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
2-chloro-4,5-diethoxybenzamide
CID 82268164

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone (CID 107950013) is (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone is CCOc1cc(Cl)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone?
The InChIKey is XWHMOBGWZKDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3O2/c1-2-21-14-7-12(18)11(6-13(14)19)15(20)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone?
(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone has a molecular weight of 408.51 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone is sourced from PubChem (CID 107950013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).